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QCMaquis

  • Openness:3 ★★★
  • Document quality:3 ★★★

An open-source application for obtaining optimized many-body wavefunctions expressed by matrix product states (MPS). By using a second-generation density matrix renormalization group (DMRG) algorithm, many-body wave functions can be efficiently optimized. The quantum-chemical operators are represented by matrix product operators (MPOs), which provides flexibility to accommodate various symmetries and relativistic effects.

Information
Last Update:2021/03/06

Official site

http://www.reiher.ethz.ch/software/maquis.html

License

Free of charge. Distributed via a git private repo on gitlab.com, but users can require access through web interface.
AvailabilityUnix/Linux
Related App
Related keywords
DocumentS. Keller, M. Dolfi, M. Troyer, M. Reiher, J. Chem. Phys. 143, 244118 (2015). S. Battaglia, A. Muolo, S. Keller, S. Knecht, M. Reiher, in preparation. S. Keller and M. Reiher, J. Chem. Phys. 144, 134101 (2016).
OtherThis is build upon the ALPS MPS. MOLCAS can use it as external module.
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